1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine

C13H15F2N3O — CID 62476987

IUPAC1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
SMILESCOCCC(N)c1ncc(-c2ccc(F)c(F)c2)[nH]1
InChIInChI=1S/C13H15F2N3O/c1-19-5-4-11(16)13-17-7-12(18-13)8-2-3-9(14)10(15)6-8/h2-3,6-7,11H,4-5,16H2,1H3,(H,17,18)
InChIKeyKUHPJGICQHKWIH-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.39
Rot. Bonds5

About 1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine

1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine (PubChem CID 62476987) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
PubChem CID62476987
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
SMILESCOCCC(N)c1ncc(-c2ccc(F)c(F)c2)[nH]1
InChIInChI=1S/C13H15F2N3O/c1-19-5-4-11(16)13-17-7-12(18-13)8-2-3-9(14)10(15)6-8/h2-3,6-7,11H,4-5,16H2,1H3,(H,17,18)
InChIKeyKUHPJGICQHKWIH-UHFFFAOYSA-N
XLogP2.39
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine?
The IUPAC name of 1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine (CID 62476987) is 1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine.
What is the SMILES notation for 1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine?
The canonical SMILES for 1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine is COCCC(N)c1ncc(-c2ccc(F)c(F)c2)[nH]1.
What is the InChIKey of 1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine?
The InChIKey is KUHPJGICQHKWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-19-5-4-11(16)13-17-7-12(18-13)8-2-3-9(14)10(15)6-8/h2-3,6-7,11H,4-5,16H2,1H3,(H,17,18).
What are the key properties of 1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine?
1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine has a molecular weight of 267.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine is sourced from PubChem (CID 62476987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).